(3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide

C11H16N2O3 — CID 164641161

IUPAC(3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide
SMILESCc1nc(C)c(CNC(=O)[C@H]2CCOC2)o1
InChIInChI=1S/C11H16N2O3/c1-7-10(16-8(2)13-7)5-12-11(14)9-3-4-15-6-9/h9H,3-6H2,1-2H3,(H,12,14)/t9-/m0/s1
InChIKeyFUCVINVVAFTXEF-VIFPVBQESA-N
MW224.26 g/mol
LogP0.94
Rot. Bonds3

About (3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide

(3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide (PubChem CID 164641161) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide
PubChem CID164641161
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide
SMILESCc1nc(C)c(CNC(=O)[C@H]2CCOC2)o1
InChIInChI=1S/C11H16N2O3/c1-7-10(16-8(2)13-7)5-12-11(14)9-3-4-15-6-9/h9H,3-6H2,1-2H3,(H,12,14)/t9-/m0/s1
InChIKeyFUCVINVVAFTXEF-VIFPVBQESA-N
XLogP0.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide (CID 164641161) is (3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide is Cc1nc(C)c(CNC(=O)[C@H]2CCOC2)o1.
What is the InChIKey of (3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide?
The InChIKey is FUCVINVVAFTXEF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-10(16-8(2)13-7)5-12-11(14)9-3-4-15-6-9/h9H,3-6H2,1-2H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide?
(3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 164641161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).